2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide

C12H17N3O3 — CID 30072606

IUPAC2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
SMILESCC[C@H](N)c1ccc(OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-2-10(13)8-3-5-9(6-4-8)18-7-11(16)15-12(14)17/h3-6,10H,2,7,13H2,1H3,(H3,14,15,16,17)/t10-/m0/s1
InChIKeyLIDUMMIVUFONLV-JTQLQIEISA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide (PubChem CID 30072606) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
PubChem CID30072606
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
SMILESCC[C@H](N)c1ccc(OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-2-10(13)8-3-5-9(6-4-8)18-7-11(16)15-12(14)17/h3-6,10H,2,7,13H2,1H3,(H3,14,15,16,17)/t10-/m0/s1
InChIKeyLIDUMMIVUFONLV-JTQLQIEISA-N
XLogP0.67
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78936989
2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
CID 30078683
2-[4-(3-aminobutyl)phenoxy]-N-carbamoylacetamide
CID 16794016
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide (CID 30072606) is 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide is CC[C@H](N)c1ccc(OCC(=O)NC(N)=O)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide?
The InChIKey is LIDUMMIVUFONLV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-10(13)8-3-5-9(6-4-8)18-7-11(16)15-12(14)17/h3-6,10H,2,7,13H2,1H3,(H3,14,15,16,17)/t10-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide?
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide has a molecular weight of 251.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 30072606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).